⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6564202 | 1.00 | — | — | |
| SCHEMBL6883539 | 1.00 | — | — | |
| SCHEMBL6887151 | 0.86 | BACE1 (0.30) | — | |
| SCHEMBL6887154 | 0.86 | BACE1 (0.30) | — | |
| SCHEMBL6566424 | 0.86 | BACE1 (0.30) | — | |
| SCHEMBL6887400 | 0.82 | VDR (0.45) | — | |
| SCHEMBL6564843 | 0.82 | VDR (0.45) | — | |
| SCHEMBL6887406 | 0.82 | VDR (0.45) | — | |
| SCHEMBL6887629 | 0.81 | — | — | |
| SCHEMBL6887623 | 0.81 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706725-B1 | BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2004-03-16 | — | — | US | disclosed |